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Capturing roaming molecular fragments in real time.

Tomoyuki EndoSimon P NevilleVincent WanieSamuel BeaulieuChen QuJude DeschampsPhilippe LassondeBruno E SchmidtHikaru FujiseMizuho FushitaniAkiyoshi HishikawaPaul L HoustonJoel M BowmanMichael S SchuurmanFrançois LégaréHeide Ibrahim
Published in: Science (New York, N.Y.) (2021)
Since the discovery of roaming as an alternative molecular dissociation pathway in formaldehyde (H2CO), it has been indirectly observed in numerous molecules. The phenomenon describes a frustrated dissociation with fragments roaming at relatively large interatomic distances rather than following conventional transition-state dissociation; incipient radicals from the parent molecule self-react to form molecular products. Roaming has been identified spectroscopically through static product channel-resolved measurements, but not in real-time observations of the roaming fragment itself. Using time-resolved Coulomb explosion imaging (CEI), we directly imaged individual "roamers" on ultrafast time scales in the prototypical formaldehyde dissociation reaction. Using high-level first-principles simulations of all critical experimental steps, distinctive roaming signatures were identified. These were rendered observable by extracting rare stochastic events out of an overwhelming background using the highly sensitive CEI method.
Keyphrases
  • electron transfer
  • small molecule
  • single molecule
  • genome wide
  • gene expression
  • high throughput
  • molecular dynamics
  • photodynamic therapy
  • fluorescence imaging
  • ionic liquid